SIMILAR PATTERNS OF AMINO ACIDS FOR 4FEW_D_KAND301

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ASP A 228
ASP A 596
ASP A 443
GLU A 255
 None
MLZ  A 513 ( 4.9A)
None
None
 1.15A 4fewD-1iv8A:
0.0		 4fewD-1iv8A:
16.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		4 ASP A 190
GLU A 230
ASP A 261
GLU A 262
 KAN  A   1 (-3.2A)
KAN  A   1 (-2.8A)
KAN  A   1 (-3.8A)
KAN  A   1 (-3.1A)
 0.96A 4fewD-1l8tA:
27.5		 4fewD-1l8tA:
31.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 ASP A  59
ASP A  51
GLU A 357
ASP A  96
 DAN  A 700 (-2.7A)
None
None
DAN  A 700 (-3.3A)
 0.95A 4fewD-1ms8A:
1.4		 4fewD-1ms8A:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 ASP A 157
ASP A 159
ASP A 190
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.29A 4fewD-1nd4A:
31.8		 4fewD-1nd4A:
33.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 ASP A 157
ASP A 159
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.85A 4fewD-1nd4A:
31.8		 4fewD-1nd4A:
33.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		4 ASP A 195
ASP A  52
ASP A 118
GLU A 192
 None
 1.16A 4fewD-1nnhA:
1.8		 4fewD-1nnhA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nsv GALACTOSE MUTAROTASE

(Lactococcus
lactis) 		PF01263
(Aldose_epim) 		4 ASP A  58
ASN A  96
GLU A 304
GLU A  90
 None
BGC  A1400 (-2.8A)
BGC  A1400 ( 4.8A)
None
 1.10A 4fewD-1nsvA:
0.0		 4fewD-1nsvA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4n UBIQUITIN-ACTIVATING
ENZYME E1C

(Homo sapiens) 		PF00899
(ThiF)
PF08825
(E2_bind) 		4 ASP B 252
ASP B 146
ASN B  87
ASP B  81
 None
ATP  B   5 (-2.9A)
ATP  B   5 ( 4.4A)
ATP  B   5 (-3.7A)
 1.20A 4fewD-1r4nB:
undetectable		 4fewD-1r4nB:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ASP A 383
GLU A 702
ASP A 472
GLU A 473
 None
 1.20A 4fewD-1rw9A:
undetectable		 4fewD-1rw9A:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 874
ASP A 870
ASP A 890
ASN A 882
 None
CA  A2007 ( 2.8A)
CA  A2005 ( 2.2A)
CA  A2006 (-2.8A)
 1.16A 4fewD-1ux6A:
undetectable		 4fewD-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 933
ASP A 868
ASN A 855
ASP A 874
 None
CA  A2007 ( 2.7A)
None
None
 1.15A 4fewD-1ux6A:
undetectable		 4fewD-1ux6A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wa5 IMPORTIN ALPHA
RE-EXPORTER
IMPORTIN ALPHA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF01749
(IBB)
PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1)
PF16186
(Arm_3) 		4 ASP C 279
ASP B  49
GLU C 226
GLU B 396
 None
 1.14A 4fewD-1wa5C:
undetectable		 4fewD-1wa5C:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wxf NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Escherichia
coli) 		PF02540
(NAD_synthase) 		4 ASP A  52
ASP A 161
ASP A 235
GLU A 165
 None
 1.14A 4fewD-1wxfA:
undetectable		 4fewD-1wxfA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		4 ASP A 190
ASN A 231
GLU A 279
GLU A  88
 None
PO4  A 401 ( 4.3A)
None
PO4  A 401 (-3.2A)
 1.20A 4fewD-1zwxA:
undetectable		 4fewD-1zwxA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 ASP A 421
ASP A  99
ASN A 277
GLU A 424
 None
 1.17A 4fewD-2b4vA:
undetectable		 4fewD-2b4vA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bqx INORGANIC
PYROPHOSPHATASE

(Helicobacter
pylori) 		PF00719
(Pyrophosphatase) 		4 ASP A  41
ASP A 101
GLU A 144
GLU A  30
 None
 1.09A 4fewD-2bqxA:
undetectable		 4fewD-2bqxA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		4 ASP A 192
ASP A 327
ASN A 270
ASP A 325
 None
 1.16A 4fewD-2eceA:
undetectable		 4fewD-2eceA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 ASN A 224
GLU A 313
ASP A 219
GLU A 272
 None
K  A 511 (-3.6A)
None
None
 1.18A 4fewD-2i2xA:
undetectable		 4fewD-2i2xA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ije GUANINE
NUCLEOTIDE-RELEASING
PROTEIN

(Mus musculus) 		PF00617
(RasGEF) 		4 ASP S1039
ASN S1114
CYH S1175
GLU S1120
 None
 1.16A 4fewD-2ijeS:
undetectable		 4fewD-2ijeS:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jer AGMATINE DEIMINASE

(Enterococcus
faecalis) 		PF04371
(PAD_porph) 		4 ASP A 124
ASP A  96
ASN A 216
CYH A 175
 None
AGT  A 357 ( 3.3A)
None
None
 1.10A 4fewD-2jerA:
undetectable		 4fewD-2jerA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pz8 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Bacillus
anthracis) 		PF02540
(NAD_synthase) 		4 ASP A  51
ASP A 159
ASP A 233
GLU A 163
 APC  A3001 (-3.7A)
None
None
APC  A3001 ( 4.6A)
 1.12A 4fewD-2pz8A:
undetectable		 4fewD-2pz8A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 246
ASP A  52
GLU A 325
GLU A 247
 BA  A 401 (-3.7A)
None
None
BA  A 401 (-3.3A)
 1.03A 4fewD-2qdeA:
undetectable		 4fewD-2qdeA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 246
CYH A 298
GLU A 325
GLU A 247
 BA  A 401 (-3.7A)
None
None
BA  A 401 (-3.3A)
 1.19A 4fewD-2qdeA:
undetectable		 4fewD-2qdeA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A 738
ASP A 734
ASP A 754
ASN A 746
 None
CA  A  26 ( 2.8A)
CA  A  23 ( 2.3A)
CA  A  26 (-2.7A)
 1.10A 4fewD-2rhpA:
undetectable		 4fewD-2rhpA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.13A 4fewD-2rhpA:
undetectable		 4fewD-2rhpA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		4 ASP A 313
ASP A 176
GLU A 404
ASP A 249
 None
None
BTB  A 620 (-4.0A)
None
 1.21A 4fewD-2vn7A:
undetectable		 4fewD-2vn7A:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wba TRYPANOTHIONE
REDUCTASE

(Trypanosoma
brucei) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASP A 432
ASP A  71
ASN A 245
GLU A  75
 None
 1.14A 4fewD-2wbaA:
undetectable		 4fewD-2wbaA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		4 ASP A  56
ASP A  30
ASP A  86
ASN A  79
 None
 0.88A 4fewD-2xheA:
undetectable		 4fewD-2xheA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xry DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE

(Methanosarcina
mazei) 		PF00875
(DNA_photolyase) 		4 ASP A  28
ASP A 142
ASP A 412
ASN A 145
 None
None
FAD  A1463 ( 4.2A)
None
 1.20A 4fewD-2xryA:
undetectable		 4fewD-2xryA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		4 ASP B  88
ASP B 212
GLU B 146
ASP B 230
 MG  B 327 (-2.4A)
None
2DE  B 329 (-3.9A)
MG  B 328 ( 3.6A)
 1.15A 4fewD-3aqcB:
undetectable		 4fewD-3aqcB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11)
PF14710
(Nitr_red_alph_N)
PF14711
(Nitr_red_bet_C) 		4 ASP A  33
ASP B 482
ASP B 500
GLU B 472
 None
 1.11A 4fewD-3egwA:
undetectable		 4fewD-3egwA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emj INORGANIC
PYROPHOSPHATASE

(Rickettsia
prowazekii) 		PF00719
(Pyrophosphatase) 		4 ASP A  42
ASP A 102
GLU A 145
GLU A  31
 None
 1.16A 4fewD-3emjA:
undetectable		 4fewD-3emjA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 466
ASP A 462
ASP A 482
ASN A 474
 None
CA  A 819 ( 2.8A)
CA  A 823 ( 2.8A)
CA  A 820 (-2.9A)
 1.08A 4fewD-3fbyA:
undetectable		 4fewD-3fbyA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g01 GRANZYME C

(Mus musculus) 		PF00089
(Trypsin) 		4 ASP A 105
ASN A 108
ASP A 109
GLU A 187
 None
 1.09A 4fewD-3g01A:
undetectable		 4fewD-3g01A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		4 ASP A  62
ASP A 287
ASN A  38
GLU A 129
 None
EOH  A 348 ( 4.5A)
None
None
 0.87A 4fewD-3h4xA:
undetectable		 4fewD-3h4xA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hje 704AA LONG
HYPOTHETICAL
GLYCOSYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		4 ASP A 222
ASP A 593
ASP A 441
GLU A 249
 GOL  A 802 (-2.8A)
GOL  A 803 (-3.0A)
GOL  A 802 ( 3.7A)
GOL  A 804 (-3.8A)
 1.18A 4fewD-3hjeA:
undetectable		 4fewD-3hjeA:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmq NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Salmonella
enterica) 		PF02540
(NAD_synthase) 		4 ASP A  52
ASP A 161
ASP A 235
GLU A 165
 SO4  A 276 (-4.9A)
None
None
None
 1.09A 4fewD-3hmqA:
undetectable		 4fewD-3hmqA:
25.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hwc CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 2

(Burkholderia
cepacia) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ASP A3461
ASP A3286
ASN A3358
ASP A3363
 None
 1.13A 4fewD-3hwcA:
undetectable		 4fewD-3hwcA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iac GLUCURONATE
ISOMERASE

(Salmonella
enterica) 		PF02614
(UxaC) 		4 ASP A 387
ASP A  58
ASP A  31
GLU A 108
 None
 1.16A 4fewD-3iacA:
undetectable		 4fewD-3iacA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron) 		PF00128
(Alpha-amylase) 		4 ASP A 388
ASP A 545
ASP A 498
GLU A 431
 ACT  A 961 (-2.8A)
EDO  A 902 ( 2.7A)
EDO  A 901 (-4.4A)
ACT  A 961 ( 4.3A)
 1.21A 4fewD-3k8kA:
3.0		 4fewD-3k8kA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ks5 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Agrobacterium
fabrum) 		PF03009
(GDPD) 		4 ASP A  36
ASP A  50
ASP A 231
ASP A  16
 FE  A 250 (-2.6A)
EDO  A 256 (-3.0A)
None
EDO  A 256 (-3.5A)
 1.09A 4fewD-3ks5A:
undetectable		 4fewD-3ks5A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 ASP A 394
ASN A 166
CYH A 383
ASP A 168
 None
 1.20A 4fewD-3ldaA:
undetectable		 4fewD-3ldaA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 121
ASP A 118
ASN A 150
GLU A 152
 None
ZN  A 505 (-2.7A)
PO4  A 500 ( 2.4A)
None
 1.20A 4fewD-3ll8A:
undetectable		 4fewD-3ll8A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		4 ASN B 524
GLU B 725
ASP B 355
GLU B 560
 None
 1.17A 4fewD-3o8oB:
undetectable		 4fewD-3o8oB:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 ASP A 187
ASP A 623
CYH A1001
GLU A 583
 NA  A3006 ( 3.1A)
NA  A3006 ( 3.0A)
GAL  A2001 ( 4.4A)
None
 1.22A 4fewD-3ob8A:
undetectable		 4fewD-3ob8A:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 ASP A 195
ASP A  52
ASP A 118
GLU A 192
 None
 1.14A 4fewD-3p8tA:
1.9		 4fewD-3p8tA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 ASP A 195
ASP A  52
GLU A 215
ASP A  47
 None
 1.18A 4fewD-3p8tA:
1.9		 4fewD-3p8tA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s83 GGDEF FAMILY PROTEIN

(Caulobacter
vibrioides) 		PF00563
(EAL) 		4 ASP A 469
ASP A 446
ASP A 339
GLU A 503
 None
K  A 549 (-3.4A)
None
K  A 549 ( 4.7A)
 1.15A 4fewD-3s83A:
undetectable		 4fewD-3s83A:
24.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 ASP A  95
ASP A  92
ASN A 124
GLU A 126
 None
MN  A 401 ( 2.8A)
MN  A 401 (-2.7A)
None
 1.20A 4fewD-3v4yA:
undetectable		 4fewD-3v4yA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiw GLYCOSYL HYDROLASE
FAMILY 88

(Pedobacter
heparinus) 		PF07470
(Glyco_hydro_88) 		4 ASP A  72
ASP A 174
GLU A 369
ASP A 116
 None
EPE  A 501 (-3.9A)
None
EPE  A 501 (-2.8A)
 1.21A 4fewD-3wiwA:
undetectable		 4fewD-3wiwA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ASP A  88
ASP A 211
ASP A 230
GLU A 233
 IPE  A 401 (-3.3A)
IPE  A 402 ( 4.6A)
None
None
 0.94A 4fewD-3wjoA:
undetectable		 4fewD-3wjoA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		4 ASP A 211
GLU A 146
ASP A 230
GLU A 233
 IPE  A 402 ( 4.6A)
IPE  A 401 ( 4.9A)
None
None
 0.90A 4fewD-3wjoA:
undetectable		 4fewD-3wjoA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 257
ASP A 269
ASP A 287
ASN A 280
 MG  A1767 (-2.5A)
MG  A1768 ( 3.9A)
2PN  A1773 (-3.9A)
MG  A1768 ( 4.9A)
 1.13A 4fewD-4a01A:
undetectable		 4fewD-4a01A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 507
ASP A 269
ASP A 727
GLU A 698
 MG  A1768 (-2.5A)
MG  A1768 ( 3.9A)
MG  A1769 ( 2.5A)
None
 1.12A 4fewD-4a01A:
undetectable		 4fewD-4a01A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		4 ASP A 691
ASP A 727
ASP A 269
ASP A 257
 MG  A1771 ( 2.7A)
MG  A1769 ( 2.5A)
MG  A1768 ( 3.9A)
MG  A1767 (-2.5A)
 0.89A 4fewD-4a01A:
undetectable		 4fewD-4a01A:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 202
ASP A 660
GLU A 667
ASP A 465
 MG  A1729 (-2.2A)
PO4  A1727 (-2.9A)
None
PO4  A1727 (-2.2A)
 1.04A 4fewD-4av6A:
0.8		 4fewD-4av6A:
15.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		4 ASP A 465
ASP A 692
GLU A 667
ASP A 228
 PO4  A1727 (-2.2A)
MG  A1731 ( 2.4A)
None
MG  A1729 (-3.6A)
 1.17A 4fewD-4av6A:
0.8		 4fewD-4av6A:
15.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4azc BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		4 ASP A 953
ASP A 638
ASP A 744
ASN A 670
 NGW  A2042 (-2.9A)
None
None
NGW  A2042 ( 4.5A)
 1.21A 4fewD-4azcA:
undetectable		 4fewD-4azcA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 ASP A 287
ASP A 396
ASN A 253
ASP A 392
 None
 1.09A 4fewD-4cotA:
undetectable		 4fewD-4cotA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		4 ASP A 471
ASP A 164
ASP A 487
GLU A 130
 None
ZN  A 701 (-2.3A)
None
None
 1.08A 4fewD-4dxbA:
undetectable		 4fewD-4dxbA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		4 ASP A 463
ASN A 437
ASP A 458
GLU A 459
 None
 1.17A 4fewD-4e2oA:
undetectable		 4fewD-4e2oA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecp INORGANIC
PYROPHOSPHATASE

(Mycobacterium
leprae) 		PF00719
(Pyrophosphatase) 		4 ASP A  29
ASP A  89
GLU A 130
GLU A  18
 None
EDO  A 201 (-3.1A)
None
None
 1.16A 4fewD-4ecpA:
undetectable		 4fewD-4ecpA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 150
ASP A 152
ASN A 289
ASP A 260
 None
 1.20A 4fewD-4f7kA:
undetectable		 4fewD-4f7kA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fl4 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION
GLYCOSIDE HYDROLASE
FAMILY 9

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1)
PF00963
(Cohesin) 		4 ASP A  35
ASN A  26
GLU C 137
ASP A  27
 CA  A 101 (-2.4A)
CA  A 101 (-2.9A)
None
None
 1.19A 4fewD-4fl4A:
undetectable		 4fewD-4fl4A:
16.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		7 ASP A 165
ASP A 167
ASP A 198
ASN A 234
CYH A 235
ASP A 268
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.16A 4fewD-4gkhA:
39.4		 4fewD-4gkhA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		4 ASP A 226
GLU A 148
ASP A 244
GLU A 247
 None
 0.94A 4fewD-4gp1A:
undetectable		 4fewD-4gp1A:
22.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h05 AMINOGLYCOSIDE-O-PHO
SPHOTRANSFERASE VIII

(Streptomyces
rimosus) 		PF01636
(APH) 		4 ASP A 153
ASP A 184
ASP A 264
GLU A 265
 None
 0.48A 4fewD-4h05A:
29.5		 4fewD-4h05A:
34.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jja HYPOTHETICAL PROTEIN

(Bacteroides
fragilis) 		PF07075
(DUF1343) 		4 ASP A 363
ASP A 323
ASP A 169
ASN A 321
 None
 1.16A 4fewD-4jjaA:
undetectable		 4fewD-4jjaA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASP A3183
ASP A3225
ASN A3256
GLU A3143
 None
 1.17A 4fewD-4kc5A:
undetectable		 4fewD-4kc5A:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 ASP A 262
ASN A  56
GLU A  76
ASP A  37
 EDO  A 310 (-3.6A)
EDO  A 306 (-3.6A)
EDO  A 306 (-3.1A)
None
 1.09A 4fewD-4ml9A:
undetectable		 4fewD-4ml9A:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nzj PUTATIVE
ALPHA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF05345
(He_PIG)
PF10632
(He_PIG_assoc)
PF16499
(Melibiase_2) 		4 ASP A 243
ASP A 165
ASP A 340
ASN A 128
 GOL  A 600 (-3.6A)
GOL  A 600 (-3.2A)
None
None
 1.20A 4fewD-4nzjA:
undetectable		 4fewD-4nzjA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 127
ASN A 159
GLU A 490
GLU A 161
 ZN  A 601 ( 3.7A)
ZN  A 601 (-3.2A)
FE  A 602 (-3.5A)
None
 1.15A 4fewD-4oraA:
undetectable		 4fewD-4oraA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ora SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
BETA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		4 ASP A 130
ASP A 127
GLU A 490
GLU A 161
 None
ZN  A 601 ( 3.7A)
FE  A 602 (-3.5A)
None
 1.15A 4fewD-4oraA:
undetectable		 4fewD-4oraA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		4 ASP A  59
ASP A 167
ASP A 241
GLU A 171
 SO4  A 301 (-4.2A)
None
None
None
 1.20A 4fewD-4q16A:
undetectable		 4fewD-4q16A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		4 ASP A 408
ASN A 480
CYH A 479
GLU A 416
 None
 1.18A 4fewD-4s13A:
undetectable		 4fewD-4s13A:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		4 ASP A 198
ASN A 260
GLU A  83
GLU A 266
 None
 1.19A 4fewD-4sliA:
undetectable		 4fewD-4sliA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u4i CU/ZN SUPEROXIDE
DISMUTASE

(Megavirus
chiliensis) 		PF00080
(Sod_Cu) 		4 ASP A  91
GLU A 105
ASP A 132
GLU A 131
 None
 1.14A 4fewD-4u4iA:
undetectable		 4fewD-4u4iA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uxv SEPTATION RING
FORMATION REGULATOR
EZRA

(Bacillus
subtilis) 		PF06160
(EzrA) 		4 ASP A  88
ASP A 109
ASN A 102
ASP A  30
 None
 0.97A 4fewD-4uxvA:
undetectable		 4fewD-4uxvA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfd NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Pseudomonas
aeruginosa) 		PF02540
(NAD_synthase) 		4 ASP A  56
ASP A 168
ASP A 242
GLU A 172
 None
 1.09A 4fewD-4xfdA:
undetectable		 4fewD-4xfdA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP A 311
ASP A 106
ASN A 339
GLU A 234
 MN  A 502 (-2.9A)
None
None
MN  A 501 (-2.5A)
 1.20A 4fewD-4xkmA:
undetectable		 4fewD-4xkmA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysl BETA-LACTAMASE
DOMAIN PROTEIN

(Pseudomonas
putida) 		PF00753
(Lactamase_B) 		4 ASP A  78
ASP A  40
GLU A  72
ASP A  14
 GSH  A 302 ( 4.4A)
None
None
None
 1.18A 4fewD-4yslA:
undetectable		 4fewD-4yslA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yw5 NEURAMINIDASE C

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		4 ASP A 388
ASP A 315
GLU A 584
ASP A 307
 G39  A 801 ( 4.8A)
G39  A 801 (-3.2A)
G39  A 801 ( 4.7A)
None
 1.21A 4fewD-4yw5A:
undetectable		 4fewD-4yw5A:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASP A1207
ASP A1013
ASN A1090
ASP A1091
 CA  A2422 (-2.2A)
None
CA  A2422 (-3.2A)
None
 1.21A 4fewD-5a55A:
undetectable		 4fewD-5a55A:
12.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		4 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.12A 4fewD-5b1uA:
undetectable		 4fewD-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b8i SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos) 		4 ASP A 139
ASP A 136
ASN A 168
GLU A 170
 None
ZN  A 401 (-2.7A)
MES  A 403 ( 2.4A)
None
 1.20A 4fewD-5b8iA:
undetectable		 4fewD-5b8iA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ASP A 594
ASN A 478
GLU A 484
GLU A 598
 None
PGE  A 906 ( 4.9A)
None
None
 1.10A 4fewD-5bwdA:
undetectable		 4fewD-5bwdA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c00 MDBA PROTEIN

(Corynebacterium
diphtheriae) 		PF13462
(Thioredoxin_4) 		4 ASP A  66
ASP A 215
ASN A 208
ASP A  84
 None
 1.16A 4fewD-5c00A:
undetectable		 4fewD-5c00A:
25.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA

(Moorella
thermoacetica) 		PF00037
(Fer4)
PF01558
(POR)
PF02775
(TPP_enzyme_C) 		4 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.19A 4fewD-5exeB:
undetectable		 4fewD-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ic5 CANDIDATE RESPONSE
REGULATOR, CHEY

(Ramlibacter
tataouinensis) 		PF00072
(Response_reg) 		4 ASP A  64
GLU A  99
ASP A  11
GLU A   9
 MG  A 204 (-2.8A)
None
None
MG  A 204 ( 4.2A)
 0.95A 4fewD-5ic5A:
undetectable		 4fewD-5ic5A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 ASP A 112
ASP A 210
GLU A 256
ASP A  77
 ZN  A 402 (-2.4A)
None
None
None
 1.13A 4fewD-5iqkA:
undetectable		 4fewD-5iqkA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iry DESMOCOLLIN-1

(Homo sapiens) 		PF00028
(Cadherin) 		4 ASP A 348
ASP A 516
ASP A 465
GLU A 402
 CA  A 609 ( 3.1A)
CA  A 611 (-3.0A)
CA  A 610 ( 3.8A)
CA  A 609 ( 2.1A)
 0.96A 4fewD-5iryA:
undetectable		 4fewD-5iryA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iu9 PROTOCADHERIN-19
ISOFORM 1

(Danio rerio) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 ASP A 174
ASP A 210
ASN A 211
GLU A 117
 CA  A1004 (-3.6A)
CA  A1004 ( 2.5A)
None
CA  A1005 ( 2.8A)
 1.19A 4fewD-5iu9A:
undetectable		 4fewD-5iu9A:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kbw RIBOFLAVIN
TRANSPORTER RIBU

(Thermotoga
maritima) 		PF12822
(ECF_trnsprt) 		4 ASP A  63
ASP A 156
ASN A  80
GLU A  24
 None
None
None
RBF  A 201 (-4.1A)
 1.21A 4fewD-5kbwA:
undetectable		 4fewD-5kbwA:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ucm PROLINE--TRNA LIGASE

(Pseudomonas
aeruginosa) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		4 ASP A 356
ASN A 372
ASP A 251
GLU A 250
 None
 1.19A 4fewD-5ucmA:
undetectable		 4fewD-5ucmA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		4 ASP A 106
ASP A  86
ASP A 136
GLU A  63
 None
 1.21A 4fewD-5visA:
undetectable		 4fewD-5visA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgj PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT ALPHA
ISOFORM

(Homo sapiens) 		no annotation 4 ASP A 746
ASP A  91
GLU A  39
GLU A 707
 None
 0.87A 4fewD-5xgjA:
5.6		 4fewD-5xgjA:
15.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 4 ASP A 356
ASP A 516
ASP A 472
GLU A 396
 None
 1.18A 4fewD-5z0uA:
undetectable		 4fewD-5z0uA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 ASP A1810
ASN A1742
ASP A1709
GLU A1705
 None
 0.96A 4fewD-5zalA:
undetectable		 4fewD-5zalA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c8q NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Enterococcus
faecalis) 		no annotation 4 ASP A  53
ASP A 162
ASP A 236
GLU A 166
 None
 1.15A 4fewD-6c8qA:
undetectable		 4fewD-6c8qA:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 4 ASP A 396
ASP A 393
ASP A 213
GLU A 240
 MG  A 702 ( 4.8A)
MG  A 702 (-1.7A)
None
GNP  A 500 ( 4.4A)
 1.15A 4fewD-6ceyA:
18.4		 4fewD-6ceyA:
16.61